Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803028320/br6130sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803028320/br61303sup2.hkl |
CCDC reference: 231830
Key indicators
- Single-crystal X-ray study
- T = 173 K
- R factor = 0.033
- wR factor = 0.080
- Data-to-parameter ratio = 20.3
checkCIF/PLATON results
No syntax errors found
Alert level A GEOM005_ALERT_1_A _geom_angle_atom_site_label_1 is missing Label identifying the atom site 1. PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 0.00 Deg. PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.00 PLAT037_ALERT_1_A _diffrn_reflns_theta_full .......... Not Given . ? PLAT038_ALERT_1_A _diffrn_measured_fraction_theta_max Not Given . ? PLAT039_ALERT_1_A _diffrn_measured_fraction_theta_full Not Given . ? PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ? PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles .......... ?
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.79 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.87 Ratio
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.69 PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 72 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.77 Ratio PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C29 PLAT301_ALERT_3_C Main Residue Disorder ......................... 2.00 Perc.
8 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXL97.
[Ag(C3F5O2)(C27H36N3P)] | F(000) = 2880 |
Mr = 704.46 | Dx = 1.498 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 8602 reflections |
a = 16.8535 (7) Å | θ = 2.2–31.2° |
b = 14.8719 (6) Å | µ = 0.76 mm−1 |
c = 26.0014 (11) Å | T = 173 K |
β = 106.567 (1)° | Irregular, colorless |
V = 6246.5 (4) Å3 | 0.50 × 0.28 × 0.25 mm |
Z = 8 |
Bruker SMART CCD area-detector diffractometer | 21437 independent reflections |
Radiation source: fine-focus sealed tube | 17914 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
ω scans | θmax = 32.0°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) | h = −25→24 |
Tmin = 0.775, Tmax = 0.827 | k = 0→22 |
105617 measured reflections | l = 0→38 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.080 | All H-atom parameters refined |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0303P)2 + 6.2345P] where P = (Fo2 + 2Fc2)/3 |
21437 reflections | (Δ/σ)max = 0.006 |
1054 parameters | Δρmax = 1.21 e Å−3 |
0 restraints | Δρmin = −0.45 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ag1 | 0.414830 (8) | 0.320664 (9) | 0.636157 (5) | 0.01734 (3) | |
Ag2 | 0.129597 (8) | 0.729055 (9) | 0.633881 (5) | 0.01615 (3) | |
P1 | 0.38391 (3) | 0.29310 (3) | 0.540969 (16) | 0.01345 (7) | |
P2 | 0.10642 (3) | 0.79331 (3) | 0.712572 (16) | 0.01192 (7) | |
F1 | 0.44839 (12) | 0.43849 (11) | 0.83499 (6) | 0.0515 (4) | |
F2 | 0.32098 (9) | 0.41318 (11) | 0.78878 (5) | 0.0414 (4) | |
F3 | 0.36863 (10) | 0.31724 (12) | 0.87683 (6) | 0.0442 (4) | |
F4 | 0.47132 (11) | 0.26081 (15) | 0.85454 (8) | 0.0470 (6) | 0.919 (5) |
F5 | 0.34786 (15) | 0.23319 (11) | 0.80644 (8) | 0.0469 (6) | 0.919 (5) |
F4A | 0.4915 (11) | 0.3168 (15) | 0.8673 (7) | 0.034 (5)* | 0.081 (5) |
F5A | 0.3945 (14) | 0.2297 (12) | 0.8246 (8) | 0.032 (5)* | 0.081 (5) |
F6 | 0.02333 (9) | 0.66277 (10) | 0.43834 (5) | 0.0363 (3) | |
F7 | 0.14996 (10) | 0.64176 (10) | 0.43615 (5) | 0.0381 (3) | |
F8 | 0.09324 (9) | 0.79701 (9) | 0.39336 (5) | 0.0315 (3) | |
F9 | 0.18595 (11) | 0.81644 (12) | 0.46846 (6) | 0.0503 (4) | |
F10 | 0.05760 (12) | 0.83926 (10) | 0.46229 (6) | 0.0499 (4) | |
O1 | 0.37072 (9) | 0.34240 (12) | 0.71032 (5) | 0.0296 (3) | |
O2 | 0.50182 (10) | 0.37105 (15) | 0.75743 (6) | 0.0412 (4) | |
O3 | 0.08189 (10) | 0.70947 (11) | 0.54502 (5) | 0.0278 (3) | |
O4 | 0.19142 (10) | 0.62571 (12) | 0.54170 (6) | 0.0338 (3) | |
N1 | 0.50177 (11) | 0.45034 (11) | 0.63193 (6) | 0.0216 (3) | |
N2 | 0.47774 (9) | 0.17242 (11) | 0.65556 (6) | 0.0178 (3) | |
N3 | 0.21221 (11) | 0.27262 (17) | 0.55946 (7) | 0.0362 (5) | |
N4 | 0.25909 (10) | 0.80999 (13) | 0.64796 (6) | 0.0237 (3) | |
N5 | 0.13701 (10) | 0.57626 (10) | 0.67111 (6) | 0.0190 (3) | |
N6 | −0.01422 (9) | 0.91003 (10) | 0.62628 (6) | 0.0178 (3) | |
C1 | 0.48136 (10) | 0.31860 (11) | 0.52484 (6) | 0.0148 (3) | |
C2 | 0.52585 (11) | 0.39708 (11) | 0.54529 (6) | 0.0164 (3) | |
C3 | 0.60245 (12) | 0.41167 (13) | 0.53577 (7) | 0.0211 (3) | |
C4 | 0.63486 (12) | 0.35195 (14) | 0.50600 (8) | 0.0233 (4) | |
C5 | 0.59003 (12) | 0.27565 (13) | 0.48483 (7) | 0.0216 (3) | |
C6 | 0.51422 (11) | 0.25873 (12) | 0.49455 (7) | 0.0180 (3) | |
C7 | 0.49228 (12) | 0.46916 (12) | 0.57458 (7) | 0.0199 (3) | |
C8 | 0.58891 (14) | 0.44013 (19) | 0.66224 (8) | 0.0342 (5) | |
C9 | 0.4647 (2) | 0.52536 (16) | 0.65375 (10) | 0.0382 (6) | |
C10 | 0.37270 (10) | 0.17215 (11) | 0.52731 (6) | 0.0150 (3) | |
C11 | 0.42666 (11) | 0.10998 (12) | 0.56110 (7) | 0.0163 (3) | |
C12 | 0.41497 (13) | 0.01859 (13) | 0.54903 (8) | 0.0246 (4) | |
C13 | 0.35134 (15) | −0.01211 (14) | 0.50571 (9) | 0.0286 (4) | |
C14 | 0.29830 (13) | 0.04904 (13) | 0.47329 (8) | 0.0251 (4) | |
C15 | 0.30948 (11) | 0.14043 (13) | 0.48409 (7) | 0.0190 (3) | |
C16 | 0.49951 (11) | 0.13595 (12) | 0.60832 (7) | 0.0169 (3) | |
C17 | 0.55446 (12) | 0.18308 (15) | 0.69981 (8) | 0.0250 (4) | |
C18 | 0.42031 (13) | 0.11377 (14) | 0.67300 (8) | 0.0232 (4) | |
C19 | 0.30530 (11) | 0.34628 (12) | 0.48555 (7) | 0.0172 (3) | |
C20 | 0.23147 (13) | 0.37930 (16) | 0.49306 (8) | 0.0287 (4) | |
C21 | 0.17411 (16) | 0.42161 (19) | 0.45007 (10) | 0.0417 (6) | |
C22 | 0.18776 (16) | 0.42910 (17) | 0.40063 (9) | 0.0377 (5) | |
C23 | 0.25934 (14) | 0.39541 (14) | 0.39241 (8) | 0.0272 (4) | |
C24 | 0.31853 (12) | 0.35546 (12) | 0.43512 (7) | 0.0195 (3) | |
C25 | 0.21204 (14) | 0.3673 (2) | 0.54576 (9) | 0.0369 (6) | |
C26 | 0.20575 (18) | 0.2608 (3) | 0.61388 (10) | 0.0560 (10) | |
C27 | 0.14459 (16) | 0.2241 (3) | 0.52182 (10) | 0.0509 (9) | |
C28 | 0.42756 (12) | 0.36264 (13) | 0.75102 (7) | 0.0206 (3) | |
C29 | 0.39833 (12) | 0.37969 (12) | 0.80148 (7) | 0.0188 (3) | |
C30 | 0.39742 (13) | 0.29661 (15) | 0.83551 (8) | 0.0266 (4) | |
C31 | 0.15414 (10) | 0.90446 (11) | 0.72538 (6) | 0.0147 (3) | |
C32 | 0.23085 (10) | 0.92117 (12) | 0.71515 (6) | 0.0170 (3) | |
C33 | 0.26034 (12) | 1.00923 (14) | 0.72008 (7) | 0.0242 (4) | |
C34 | 0.21729 (14) | 1.07944 (14) | 0.73481 (8) | 0.0280 (4) | |
C35 | 0.14366 (13) | 1.06243 (13) | 0.74668 (8) | 0.0248 (4) | |
C36 | 0.11292 (11) | 0.97500 (12) | 0.74215 (7) | 0.0185 (3) | |
C37 | 0.28546 (11) | 0.84851 (14) | 0.70264 (7) | 0.0203 (3) | |
C38 | 0.32142 (14) | 0.7425 (2) | 0.64388 (10) | 0.0382 (6) | |
C39 | 0.25364 (17) | 0.8807 (2) | 0.60784 (8) | 0.0382 (6) | |
C40 | 0.16858 (10) | 0.72608 (11) | 0.76952 (6) | 0.0141 (3) | |
C41 | 0.16574 (10) | 0.63135 (12) | 0.76667 (6) | 0.0158 (3) | |
C42 | 0.21480 (11) | 0.58228 (13) | 0.80990 (7) | 0.0199 (3) | |
C43 | 0.26587 (12) | 0.62460 (14) | 0.85509 (7) | 0.0219 (3) | |
C44 | 0.26789 (11) | 0.71766 (14) | 0.85790 (7) | 0.0208 (3) | |
C45 | 0.21952 (11) | 0.76761 (13) | 0.81525 (7) | 0.0173 (3) | |
C46 | 0.10912 (12) | 0.58009 (12) | 0.72023 (7) | 0.0189 (3) | |
C47 | 0.07435 (15) | 0.52787 (15) | 0.62914 (8) | 0.0293 (4) | |
C48 | 0.21715 (14) | 0.53025 (15) | 0.68098 (9) | 0.0282 (4) | |
C49 | 0.00722 (10) | 0.80243 (11) | 0.72771 (6) | 0.0138 (3) | |
C50 | −0.06694 (10) | 0.81669 (11) | 0.68665 (7) | 0.0159 (3) | |
C51 | −0.14170 (11) | 0.81815 (13) | 0.69999 (8) | 0.0207 (3) | |
C52 | −0.14386 (12) | 0.80649 (13) | 0.75265 (8) | 0.0225 (4) | |
C53 | −0.07112 (12) | 0.79274 (13) | 0.79285 (8) | 0.0226 (3) | |
C54 | 0.00399 (11) | 0.79058 (12) | 0.78041 (7) | 0.0183 (3) | |
C55 | −0.06644 (11) | 0.83300 (12) | 0.62946 (7) | 0.0184 (3) | |
C56 | 0.00169 (14) | 0.91593 (16) | 0.57416 (8) | 0.0266 (4) | |
C57 | −0.05039 (13) | 0.99378 (13) | 0.63779 (8) | 0.0238 (4) | |
C58 | 0.12919 (12) | 0.67111 (13) | 0.52268 (7) | 0.0210 (3) | |
C59 | 0.10288 (12) | 0.68855 (13) | 0.46112 (7) | 0.0213 (3) | |
C60 | 0.10923 (14) | 0.78696 (14) | 0.44634 (7) | 0.0249 (4) | |
H3 | 0.6308 (15) | 0.4650 (17) | 0.5482 (10) | 0.025 (6)* | |
H4 | 0.6851 (16) | 0.3636 (17) | 0.4992 (10) | 0.026 (6)* | |
H5 | 0.6093 (16) | 0.2381 (17) | 0.4640 (10) | 0.025 (6)* | |
H6 | 0.4862 (15) | 0.2052 (17) | 0.4807 (10) | 0.023 (6)* | |
H7A | 0.4345 (14) | 0.4785 (15) | 0.5578 (9) | 0.016 (5)* | |
H7B | 0.5186 (14) | 0.5271 (16) | 0.5721 (9) | 0.020 (6)* | |
H8A | 0.5906 (17) | 0.4290 (19) | 0.6983 (11) | 0.036 (7)* | |
H8B | 0.6141 (16) | 0.3903 (19) | 0.6475 (11) | 0.030 (7)* | |
H8C | 0.621 (2) | 0.493 (2) | 0.6596 (13) | 0.051 (9)* | |
H9A | 0.4704 (17) | 0.5118 (19) | 0.6916 (11) | 0.036 (7)* | |
H9B | 0.404 (2) | 0.533 (2) | 0.6335 (12) | 0.046 (9)* | |
H9C | 0.487 (2) | 0.578 (2) | 0.6486 (13) | 0.052 (9)* | |
H12 | 0.4500 (16) | −0.0212 (18) | 0.5690 (10) | 0.029 (7)* | |
H13 | 0.3449 (17) | −0.073 (2) | 0.4991 (11) | 0.040 (8)* | |
H14 | 0.2523 (17) | 0.0279 (19) | 0.4431 (11) | 0.036 (7)* | |
H15 | 0.2732 (15) | 0.1814 (17) | 0.4614 (10) | 0.024 (6)* | |
H16A | 0.5338 (14) | 0.1797 (15) | 0.5987 (9) | 0.015 (5)* | |
H16B | 0.5355 (15) | 0.0807 (17) | 0.6185 (10) | 0.024 (6)* | |
H17A | 0.5419 (15) | 0.2108 (17) | 0.7287 (10) | 0.025 (6)* | |
H17B | 0.5907 (17) | 0.2215 (18) | 0.6885 (11) | 0.030 (7)* | |
H17C | 0.5837 (15) | 0.1268 (18) | 0.7105 (10) | 0.025 (6)* | |
H18A | 0.3679 (15) | 0.1068 (16) | 0.6440 (10) | 0.022 (6)* | |
H18B | 0.4417 (16) | 0.0562 (19) | 0.6815 (10) | 0.029 (6)* | |
H18C | 0.4059 (16) | 0.1406 (18) | 0.7014 (11) | 0.029 (6)* | |
H21 | 0.125 (2) | 0.439 (2) | 0.4540 (13) | 0.057 (10)* | |
H22 | 0.148 (2) | 0.455 (2) | 0.3719 (13) | 0.056 (9)* | |
H23 | 0.2691 (17) | 0.4018 (19) | 0.3580 (11) | 0.037 (7)* | |
H24 | 0.3689 (15) | 0.3351 (16) | 0.4294 (9) | 0.018 (5)* | |
H25B | 0.160 (2) | 0.395 (2) | 0.5458 (13) | 0.057 (10)* | |
H25C | 0.2572 (17) | 0.3976 (19) | 0.5757 (11) | 0.034 (7)* | |
H26A | 0.2057 (17) | 0.1978 (19) | 0.6214 (11) | 0.028 (7)* | |
H26B | 0.248 (2) | 0.291 (2) | 0.6387 (13) | 0.046 (8)* | |
H26C | 0.154 (2) | 0.290 (2) | 0.6159 (13) | 0.054 (9)* | |
H27A | 0.1476 (18) | 0.164 (2) | 0.5296 (11) | 0.032 (8)* | |
H27B | 0.1501 (18) | 0.2300 (19) | 0.4853 (12) | 0.037 (7)* | |
H27C | 0.089 (2) | 0.240 (3) | 0.5230 (15) | 0.073 (12)* | |
H33 | 0.3079 (17) | 1.0174 (18) | 0.7133 (10) | 0.031 (7)* | |
H34 | 0.2375 (17) | 1.135 (2) | 0.7364 (11) | 0.036 (7)* | |
H35 | 0.1129 (17) | 1.1097 (19) | 0.7561 (11) | 0.034 (7)* | |
H36 | 0.0641 (15) | 0.9635 (16) | 0.7500 (9) | 0.021 (6)* | |
H37A | 0.2900 (14) | 0.7988 (16) | 0.7281 (9) | 0.019 (6)* | |
H37B | 0.3392 (16) | 0.8733 (17) | 0.7081 (10) | 0.026 (6)* | |
H38A | 0.3047 (17) | 0.7167 (19) | 0.6093 (11) | 0.035 (7)* | |
H38B | 0.3247 (18) | 0.695 (2) | 0.6725 (12) | 0.040 (8)* | |
H38C | 0.375 (2) | 0.770 (2) | 0.6489 (13) | 0.050 (9)* | |
H39A | 0.2119 (16) | 0.9236 (18) | 0.6084 (10) | 0.026 (6)* | |
H39C | 0.2387 (17) | 0.8585 (19) | 0.5751 (12) | 0.036 (7)* | |
H39B | 0.3090 (18) | 0.912 (2) | 0.6127 (11) | 0.039 (7)* | |
H42 | 0.2122 (15) | 0.5197 (18) | 0.8064 (10) | 0.026 (6)* | |
H43 | 0.2984 (16) | 0.5903 (18) | 0.8823 (11) | 0.030 (7)* | |
H44 | 0.2992 (15) | 0.7449 (17) | 0.8867 (10) | 0.023 (6)* | |
H45 | 0.2211 (15) | 0.8270 (17) | 0.8172 (10) | 0.022 (6)* | |
H46A | 0.0546 (15) | 0.6080 (17) | 0.7093 (10) | 0.023 (6)* | |
H46B | 0.1027 (14) | 0.5195 (16) | 0.7317 (9) | 0.021 (6)* | |
H47A | 0.0922 (17) | 0.5241 (19) | 0.5972 (11) | 0.035 (7)* | |
H47B | 0.0194 (17) | 0.5619 (19) | 0.6200 (11) | 0.035 (7)* | |
H47C | 0.0675 (16) | 0.4678 (19) | 0.6417 (11) | 0.032 (7)* | |
H48A | 0.2607 (16) | 0.5627 (18) | 0.7084 (11) | 0.029 (6)* | |
H48B | 0.2150 (17) | 0.468 (2) | 0.6916 (12) | 0.040 (8)* | |
H48C | 0.2324 (16) | 0.5325 (18) | 0.6493 (11) | 0.031 (7)* | |
H51 | −0.1924 (16) | 0.8291 (17) | 0.6721 (10) | 0.029 (7)* | |
H52 | −0.1940 (16) | 0.8106 (17) | 0.7600 (10) | 0.028 (6)* | |
H53 | −0.0715 (15) | 0.7823 (16) | 0.8277 (10) | 0.023 (6)* | |
H54 | 0.0525 (15) | 0.7799 (16) | 0.8083 (9) | 0.018 (6)* | |
H55A | −0.0446 (14) | 0.7807 (16) | 0.6161 (9) | 0.019 (6)* | |
H55B | −0.1232 (17) | 0.8409 (18) | 0.6068 (11) | 0.032 (7)* | |
H56A | 0.0252 (16) | 0.8622 (19) | 0.5666 (10) | 0.031 (7)* | |
H56B | −0.0495 (16) | 0.9284 (17) | 0.5442 (10) | 0.026 (6)* | |
H56C | 0.0394 (16) | 0.9651 (18) | 0.5747 (10) | 0.030 (7)* | |
H57A | −0.0603 (14) | 0.9899 (16) | 0.6720 (10) | 0.021 (6)* | |
H57B | −0.0123 (16) | 1.0452 (18) | 0.6384 (10) | 0.031 (7)* | |
H57C | −0.1026 (18) | 1.0069 (19) | 0.6128 (12) | 0.038 (7)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.01859 (6) | 0.02178 (6) | 0.01143 (5) | −0.00109 (5) | 0.00392 (4) | −0.00228 (4) |
Ag2 | 0.01753 (6) | 0.01899 (6) | 0.01283 (5) | −0.00021 (4) | 0.00576 (4) | −0.00121 (4) |
P1 | 0.01391 (18) | 0.01522 (18) | 0.01052 (16) | 0.00014 (14) | 0.00232 (13) | −0.00153 (13) |
P2 | 0.01216 (17) | 0.01246 (17) | 0.01140 (16) | 0.00009 (14) | 0.00380 (13) | 0.00045 (13) |
F1 | 0.0778 (12) | 0.0442 (9) | 0.0360 (7) | −0.0358 (8) | 0.0219 (8) | −0.0248 (7) |
F2 | 0.0445 (8) | 0.0547 (9) | 0.0295 (6) | 0.0329 (7) | 0.0178 (6) | 0.0109 (6) |
F3 | 0.0455 (8) | 0.0671 (11) | 0.0267 (6) | 0.0059 (7) | 0.0210 (6) | 0.0137 (7) |
F4 | 0.0350 (9) | 0.0579 (14) | 0.0488 (10) | 0.0210 (9) | 0.0133 (8) | 0.0315 (9) |
F5 | 0.0587 (14) | 0.0317 (9) | 0.0492 (10) | −0.0255 (8) | 0.0136 (10) | −0.0016 (7) |
F6 | 0.0345 (7) | 0.0465 (8) | 0.0228 (6) | −0.0168 (6) | 0.0001 (5) | −0.0046 (5) |
F7 | 0.0563 (9) | 0.0369 (7) | 0.0245 (6) | 0.0199 (7) | 0.0170 (6) | −0.0032 (5) |
F8 | 0.0480 (8) | 0.0320 (6) | 0.0155 (5) | 0.0040 (6) | 0.0104 (5) | 0.0017 (5) |
F9 | 0.0582 (10) | 0.0587 (10) | 0.0287 (7) | −0.0350 (8) | 0.0041 (7) | 0.0014 (7) |
F10 | 0.0929 (13) | 0.0289 (7) | 0.0430 (8) | 0.0257 (8) | 0.0437 (9) | 0.0089 (6) |
O1 | 0.0264 (7) | 0.0486 (9) | 0.0140 (6) | −0.0013 (7) | 0.0062 (5) | −0.0072 (6) |
O2 | 0.0206 (7) | 0.0761 (14) | 0.0277 (8) | 0.0016 (8) | 0.0081 (6) | 0.0048 (8) |
O3 | 0.0319 (8) | 0.0356 (8) | 0.0149 (6) | 0.0070 (6) | 0.0051 (5) | −0.0013 (5) |
O4 | 0.0321 (8) | 0.0445 (9) | 0.0247 (7) | 0.0128 (7) | 0.0079 (6) | 0.0071 (6) |
N1 | 0.0294 (8) | 0.0202 (7) | 0.0131 (6) | −0.0050 (6) | 0.0030 (6) | −0.0016 (5) |
N2 | 0.0172 (7) | 0.0215 (7) | 0.0141 (6) | −0.0030 (5) | 0.0036 (5) | 0.0019 (5) |
N3 | 0.0172 (8) | 0.0752 (15) | 0.0178 (7) | −0.0084 (9) | 0.0075 (6) | −0.0122 (8) |
N4 | 0.0179 (7) | 0.0372 (9) | 0.0176 (7) | −0.0072 (6) | 0.0079 (6) | −0.0051 (6) |
N5 | 0.0242 (7) | 0.0166 (7) | 0.0161 (6) | 0.0018 (6) | 0.0056 (5) | −0.0013 (5) |
N6 | 0.0184 (7) | 0.0189 (7) | 0.0155 (6) | 0.0023 (5) | 0.0038 (5) | 0.0016 (5) |
C1 | 0.0159 (7) | 0.0157 (7) | 0.0121 (6) | −0.0008 (6) | 0.0028 (5) | 0.0018 (5) |
C2 | 0.0199 (8) | 0.0151 (7) | 0.0122 (6) | −0.0005 (6) | 0.0012 (6) | 0.0030 (5) |
C3 | 0.0206 (8) | 0.0212 (8) | 0.0186 (7) | −0.0051 (7) | 0.0006 (6) | 0.0058 (6) |
C4 | 0.0174 (8) | 0.0290 (9) | 0.0237 (8) | −0.0001 (7) | 0.0061 (7) | 0.0100 (7) |
C5 | 0.0208 (8) | 0.0243 (9) | 0.0221 (8) | 0.0041 (7) | 0.0101 (7) | 0.0056 (7) |
C6 | 0.0201 (8) | 0.0177 (8) | 0.0169 (7) | −0.0002 (6) | 0.0062 (6) | 0.0008 (6) |
C7 | 0.0282 (9) | 0.0149 (7) | 0.0145 (7) | −0.0027 (7) | 0.0027 (6) | −0.0005 (6) |
C8 | 0.0298 (11) | 0.0498 (14) | 0.0179 (8) | −0.0189 (10) | −0.0016 (7) | 0.0043 (9) |
C9 | 0.0684 (18) | 0.0205 (10) | 0.0300 (11) | −0.0022 (11) | 0.0208 (11) | −0.0079 (8) |
C10 | 0.0157 (7) | 0.0171 (7) | 0.0130 (6) | −0.0017 (6) | 0.0055 (5) | −0.0007 (5) |
C11 | 0.0176 (7) | 0.0160 (7) | 0.0154 (7) | −0.0012 (6) | 0.0047 (6) | 0.0011 (6) |
C12 | 0.0314 (10) | 0.0164 (8) | 0.0230 (8) | −0.0001 (7) | 0.0028 (7) | 0.0030 (7) |
C13 | 0.0381 (11) | 0.0162 (8) | 0.0281 (9) | −0.0039 (8) | 0.0038 (8) | −0.0024 (7) |
C14 | 0.0274 (10) | 0.0208 (9) | 0.0236 (8) | −0.0060 (7) | 0.0016 (7) | −0.0049 (7) |
C15 | 0.0185 (8) | 0.0200 (8) | 0.0174 (7) | −0.0015 (6) | 0.0035 (6) | −0.0020 (6) |
C16 | 0.0165 (7) | 0.0182 (8) | 0.0154 (7) | −0.0004 (6) | 0.0035 (6) | 0.0025 (6) |
C17 | 0.0215 (9) | 0.0333 (11) | 0.0169 (7) | 0.0006 (8) | 0.0003 (6) | 0.0020 (7) |
C18 | 0.0246 (9) | 0.0250 (9) | 0.0227 (8) | −0.0040 (7) | 0.0113 (7) | 0.0041 (7) |
C19 | 0.0179 (8) | 0.0159 (7) | 0.0145 (7) | 0.0024 (6) | −0.0006 (6) | −0.0032 (6) |
C20 | 0.0250 (9) | 0.0372 (11) | 0.0198 (8) | 0.0124 (8) | −0.0003 (7) | −0.0097 (8) |
C21 | 0.0335 (12) | 0.0517 (15) | 0.0320 (11) | 0.0255 (11) | −0.0032 (9) | −0.0075 (10) |
C22 | 0.0392 (13) | 0.0344 (12) | 0.0279 (10) | 0.0144 (10) | −0.0089 (9) | 0.0001 (9) |
C23 | 0.0318 (10) | 0.0236 (9) | 0.0196 (8) | −0.0022 (8) | −0.0033 (7) | 0.0038 (7) |
C24 | 0.0227 (8) | 0.0168 (8) | 0.0161 (7) | −0.0021 (6) | 0.0010 (6) | 0.0005 (6) |
C25 | 0.0240 (10) | 0.0626 (16) | 0.0228 (9) | 0.0146 (10) | 0.0046 (8) | −0.0146 (10) |
C26 | 0.0311 (13) | 0.120 (3) | 0.0206 (10) | −0.0212 (17) | 0.0130 (9) | −0.0121 (14) |
C27 | 0.0255 (11) | 0.102 (3) | 0.0276 (11) | −0.0198 (14) | 0.0107 (9) | −0.0192 (14) |
C28 | 0.0228 (8) | 0.0251 (9) | 0.0145 (7) | 0.0020 (7) | 0.0064 (6) | 0.0008 (6) |
C29 | 0.0245 (8) | 0.0169 (8) | 0.0152 (7) | −0.0015 (6) | 0.0059 (6) | −0.0031 (6) |
C30 | 0.0257 (9) | 0.0308 (10) | 0.0245 (9) | 0.0029 (8) | 0.0089 (7) | 0.0073 (8) |
C31 | 0.0158 (7) | 0.0148 (7) | 0.0128 (6) | −0.0019 (6) | 0.0028 (5) | 0.0016 (5) |
C32 | 0.0159 (7) | 0.0214 (8) | 0.0121 (6) | −0.0039 (6) | 0.0014 (5) | 0.0016 (6) |
C33 | 0.0226 (9) | 0.0278 (10) | 0.0196 (8) | −0.0109 (7) | 0.0016 (7) | 0.0046 (7) |
C34 | 0.0345 (11) | 0.0181 (9) | 0.0255 (9) | −0.0100 (8) | −0.0007 (8) | 0.0031 (7) |
C35 | 0.0303 (10) | 0.0161 (8) | 0.0234 (8) | −0.0011 (7) | 0.0002 (7) | −0.0019 (7) |
C36 | 0.0202 (8) | 0.0152 (7) | 0.0184 (7) | −0.0004 (6) | 0.0027 (6) | −0.0004 (6) |
C37 | 0.0142 (7) | 0.0313 (9) | 0.0158 (7) | −0.0050 (7) | 0.0052 (6) | −0.0024 (7) |
C38 | 0.0193 (9) | 0.0615 (17) | 0.0372 (12) | −0.0030 (10) | 0.0135 (9) | −0.0214 (12) |
C39 | 0.0447 (14) | 0.0544 (16) | 0.0167 (8) | −0.0223 (12) | 0.0106 (9) | −0.0009 (9) |
C40 | 0.0139 (7) | 0.0160 (7) | 0.0133 (6) | 0.0016 (6) | 0.0052 (5) | 0.0015 (5) |
C41 | 0.0167 (7) | 0.0170 (7) | 0.0158 (7) | 0.0021 (6) | 0.0077 (6) | 0.0021 (6) |
C42 | 0.0213 (8) | 0.0194 (8) | 0.0213 (8) | 0.0048 (6) | 0.0098 (6) | 0.0060 (6) |
C43 | 0.0193 (8) | 0.0281 (9) | 0.0184 (7) | 0.0049 (7) | 0.0056 (6) | 0.0098 (7) |
C44 | 0.0182 (8) | 0.0290 (9) | 0.0137 (7) | −0.0001 (7) | 0.0020 (6) | 0.0022 (6) |
C45 | 0.0172 (7) | 0.0199 (8) | 0.0146 (7) | 0.0005 (6) | 0.0043 (6) | 0.0010 (6) |
C46 | 0.0227 (8) | 0.0143 (7) | 0.0205 (7) | −0.0003 (6) | 0.0077 (6) | −0.0004 (6) |
C47 | 0.0407 (12) | 0.0211 (9) | 0.0229 (9) | −0.0068 (8) | 0.0040 (8) | −0.0049 (7) |
C48 | 0.0345 (11) | 0.0273 (10) | 0.0249 (9) | 0.0123 (8) | 0.0116 (8) | 0.0009 (8) |
C49 | 0.0147 (7) | 0.0122 (7) | 0.0155 (6) | −0.0004 (5) | 0.0059 (5) | −0.0009 (5) |
C50 | 0.0149 (7) | 0.0142 (7) | 0.0185 (7) | −0.0005 (6) | 0.0045 (6) | −0.0020 (6) |
C51 | 0.0145 (7) | 0.0195 (8) | 0.0282 (8) | 0.0004 (6) | 0.0060 (6) | −0.0024 (7) |
C52 | 0.0185 (8) | 0.0197 (8) | 0.0338 (9) | −0.0014 (6) | 0.0147 (7) | −0.0024 (7) |
C53 | 0.0259 (9) | 0.0218 (8) | 0.0248 (8) | −0.0003 (7) | 0.0149 (7) | 0.0010 (7) |
C54 | 0.0205 (8) | 0.0192 (8) | 0.0170 (7) | 0.0003 (6) | 0.0083 (6) | 0.0008 (6) |
C55 | 0.0158 (7) | 0.0202 (8) | 0.0170 (7) | 0.0003 (6) | 0.0013 (6) | −0.0015 (6) |
C56 | 0.0306 (10) | 0.0308 (10) | 0.0198 (8) | 0.0022 (8) | 0.0093 (7) | 0.0042 (7) |
C57 | 0.0240 (9) | 0.0200 (9) | 0.0254 (9) | 0.0050 (7) | 0.0039 (7) | 0.0022 (7) |
C58 | 0.0250 (9) | 0.0223 (8) | 0.0154 (7) | −0.0016 (7) | 0.0050 (6) | −0.0009 (6) |
C59 | 0.0256 (9) | 0.0219 (9) | 0.0155 (7) | 0.0008 (7) | 0.0043 (6) | −0.0045 (6) |
C60 | 0.0358 (10) | 0.0249 (9) | 0.0152 (7) | −0.0005 (8) | 0.0093 (7) | −0.0025 (6) |
Ag1—O1 | 2.2789 (13) | F2—C29 | 1.346 (2) |
Ag1—P1 | 2.4145 (4) | F3—C30 | 1.334 (2) |
Ag1—N2 | 2.4360 (16) | F4—C30 | 1.315 (3) |
Ag1—N1 | 2.4433 (16) | F5—C30 | 1.341 (3) |
Ag2—O3 | 2.2383 (13) | F4A—C30 | 1.594 (19) |
Ag2—P2 | 2.3892 (4) | F5A—C30 | 1.032 (19) |
Ag2—N4 | 2.4270 (16) | F6—C59 | 1.357 (2) |
Ag2—N5 | 2.4592 (15) | F7—C59 | 1.353 (2) |
P1—C10 | 1.8327 (18) | F8—C60 | 1.335 (2) |
P1—C19 | 1.8353 (17) | F9—C60 | 1.331 (3) |
P1—C1 | 1.8466 (17) | F10—C60 | 1.319 (2) |
P2—C31 | 1.8268 (17) | O1—C28 | 1.245 (2) |
P2—C49 | 1.8285 (16) | O2—C28 | 1.221 (2) |
P2—C40 | 1.8452 (16) | O3—C58 | 1.250 (2) |
F1—C29 | 1.348 (2) |
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